3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide

C17H20N2O5S — CID 67707570

IUPAC3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide
SMILESCOc1ccc(S(=O)(=O)C(C(N)=O)C(N)(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-24-13-7-9-14(10-8-13)25(22,23)15(16(18)20)17(19,21)11-12-5-3-2-4-6-12/h2-10,15,21H,11,19H2,1H3,(H2,18,20)
InChIKeyYDJKRHGLLGAWDI-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.21
Rot. Bonds7

About 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide

3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide (PubChem CID 67707570) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide.

Molecular Properties

Compound Name3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide
PubChem CID67707570
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide
SMILESCOc1ccc(S(=O)(=O)C(C(N)=O)C(N)(O)Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2O5S/c1-24-13-7-9-14(10-8-13)25(22,23)15(16(18)20)17(19,21)11-12-5-3-2-4-6-12/h2-10,15,21H,11,19H2,1H3,(H2,18,20)
InChIKeyYDJKRHGLLGAWDI-UHFFFAOYSA-N
XLogP0.21
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439
3-amino-N-benzyl-3-(4-methoxyphenyl)sulfonyl-2,2-dimethylpropanamide
CID 54415664
3-(4-methoxyphenyl)sulfonyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 22463264
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
3-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-7-phenylheptanoic acid
CID 18790103
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
2-amino-2-[4-(4-methoxyphenyl)phenyl]sulfonyl-6-phenylhex-4-ynoic acid
CID 70127812
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-(1H-indol-5-ylmethyl)-(4-methoxyphenyl)sulfonyl-phenylmethoxyazanium
CID 87984883
1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
CID 57294942
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
benzyl 4-amino-2-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-4-oxo-2-propan-2-ylbutanoate
CID 70094571

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide?
The IUPAC name of 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide (CID 67707570) is 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide.
What is the SMILES notation for 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide?
The canonical SMILES for 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide is COc1ccc(S(=O)(=O)C(C(N)=O)C(N)(O)Cc2ccccc2)cc1.
What is the InChIKey of 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide?
The InChIKey is YDJKRHGLLGAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-24-13-7-9-14(10-8-13)25(22,23)15(16(18)20)17(19,21)11-12-5-3-2-4-6-12/h2-10,15,21H,11,19H2,1H3,(H2,18,20).
What are the key properties of 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide?
3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide has a molecular weight of 364.42 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-phenylbutanamide is sourced from PubChem (CID 67707570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).